Exploration of Si–N compounds as high energy density materials

Paras Patel, Saurav Patel, Madhavi H. Dalsaniya, Dominik Kurzydłowski, Krzysztof J. Kurzydłowski and Prafulla K. Jha

Phys. Chem. Chem. Phys., 2024, 26, 25089
DOI: 10.1039/D4CP02469A

Putting xenon and nitrogen under pressure: towards new layered and two-dimensional nitrogen allotropes with crown ether-like nanopores

Busheng Wang, Frédéric Guégan and Gilles Frapper

J. Mater. Chem. C, 2022, 10, 10374
DOI: 10.1039/D2TC01887J

Predicted superconductivity in one-dimensional A3Hf2B3-type electrides

Yulong Chen, Teng Xie, Ziqiang Chen, Zhou Cui, Cuilian Wen and Baisheng Sa

RSC Adv., 2023, 13, 34400
DOI: 10.1039/D3RA07383A

Lanthanium nitride LaN9 featuring azide units: the first metal nine-nitride as a high-energy-density material

Shuyi Lin, Jingyan Chen, Bi Zhang, Jian Hao, Meiling Xu and Yinwei Li

Phys. Chem. Chem. Phys., 2024, 26, 3605
DOI: 10.1039/D3CP06155H

Symmetry and reactivity of π-systems in electric and magnetic fields: a perspective from conceptual DFT

Meilani Wibowo-Teale, Bang C. Huynh, Andrew M. Wibowo-Teale, Frank De Proft and Paul Geerlings

Phys. Chem. Chem. Phys., 2024, 26, 15156
DOI: 10.1039/D4CP00799A

A computational and Raman spectroscopic study of successive phase transitions in Co3TeO6 under high pressure and high temperature

Yijie Zeng, Pengfei Tan, Tao Han, Ke Liu, Peiyang Mu, Binbin Yue, Huiyang Gou, Yonggang Wang, Dao-Xin Yao, Weidong Sang, Na Wang and Man-Rong Li

J. Mater. Chem. C, 2025, 13, 18298
DOI: 10.1039/D5TC01779C

Prediction of a reservoir of N-rich high-energy density material at the Earth's mantle

Kang Yang, Jingming Shi, Wenwen Cui, Jian Hao and Yinwei Li

Phys. Chem. Chem. Phys., 2023, 25, 20281
DOI: 10.1039/D3CP02247A

Noble Gas Anions: An Overview of Strategies and Bonding Motifs

Stefano Borocci, Felice Grandinetti, Nico Sanna and Costantino Zazza

Chemistry An Asian Journal, 2024, 19
DOI: 10.1002/asia.202400191

Phase stability and physical properties of lanthanum dicarbide under pressure

Djalel Mebarki, Souad Dilmi, Salima Saib, Nadir Bouarissa and Souad Louhibi-Fasla

Philosophical Magazine, 2023, 103, 969
DOI: 10.1080/14786435.2023.2176939

Comprehensive Bibliometric Analysis on High Hydrostatic Pressure as New Sustainable Technology for Food Processing: Key Concepts and Research Trends

Luis Puente-Díaz, Doina Solís and Siu-heng Wong-Toro

Sustainability, 2024, 17, 188
DOI: 10.3390/su17010188

GTS: A Python toolkit for building Gibbs thermodynamic surface with application to obtain high-pressure melting data

Xuan Zhao and Kun Yin

Computer Physics Communications, 2025, 317, 109858
DOI: 10.1016/j.cpc.2025.109858

Prediction of Methylcyclopentane-Shaped N6 Building Bolcks and Fused N22 Macro-Rings in Potassium Chloride Nitrogen Salts at High Pressure

Bi Zhang, Meiling Xu, Zhuoqing Wang, Jian Hao and Yinwei Li

J. Phys. Chem. C, 2025, 129, 1061
DOI: 10.1021/acs.jpcc.4c07340

Superconductive electride Li10Bi under high pressure

Xinyu Zhang, Jiahui Wei, Chao Gu, Denys Butenko, Hanyu Liu, Yue Chen, Jinlong Zhu and Shoutao Zhang

Phys. Rev. B, 2025, 111
DOI: 10.1103/vrl4-8cfc

High-pressure quenching effect on martensitic transformation characteristics and mechanical properties of low-alloy medium-carbon steel

Qing Cui, Shuo Jiang, Xiaoping Lin, Yaowei Guo, Hang Zhang and Bin Wen

Journal of Materials Research and Technology, 2023, 23, 765
DOI: 10.1016/j.jmrt.2023.01.051

Exploration of Metastable A-Site-Ordered Perovskites (Ca,Ba)FeO3−δ by Computationally Guided Multistep Synthesis

Masaho Onose, Hidefumi Takahashi, Hajime Sagayama, Yuichi Yamasaki and Shintaro Ishiwata

J. Am. Chem. Soc., 2025, 147, 8260
DOI: 10.1021/jacs.4c15392

Structures and properties of Ca–Xe compounds at extreme pressure and temperature

Pan Zhang, Wenwen Cui, Jian Hao, Jingming Shi and Yinwei Li

The Journal of Chemical Physics, 2025, 162
DOI: 10.1063/5.0249599

Near-infrared piezochromism of AIE-active luminophore in hybridized local and charge-transfer excited state—the effect of shortened donor-acceptor distance

Chengjian Li, Lijie Ye, Jingwei Sun, Cheng Zhang, Qingbao Song, Kai Wang and Mi Ouyang

Dyes and Pigments, 2022, 204, 110457
DOI: 10.1016/j.dyepig.2022.110457

An ab initio study of structural phase transitions of crystalline aluminium under ultrahigh pressures based on ensemble theory

Bo-Yuan Ning and Li-Yuan Zhang

Computational Materials Science, 2023, 218, 111960
DOI: 10.1016/j.commatsci.2022.111960

Heavy transition metal induced superconductivity in high hardness rock-salt structure tantalum carbide

Shuailing Ma, Yufei Ge, Wang Chen, Min Lian, Xingbin Zhao, Qiang Tao, Kuo Bao, Pinwen Zhu and Tian Cui

International Journal of Refractory Metals and Hard Materials, 2025, 133, 107340
DOI: 10.1016/j.ijrmhm.2025.107340

Bond Lengths and Dipole Moments of Diatomic Molecules under Isotropic Pressure with the XP-PCM and GOSTSHYP Models

Jochen Eeckhoudt, Mercedes Alonso, Paul Geerlings and Frank De Proft

J. Chem. Theory Comput., 2024, 20, 7430
DOI: 10.1021/acs.jctc.4c00665

From Na2Cl to CaCl: Progress in the 2D Crystals of Unconventional Stoichiometries in Ambient Conditions

Mengjiao Wu, Xiaoling Lei and Haiping Fang

Solids, 2025, 6, 38
DOI: 10.3390/solids6030038

Pressure effects on the Fermi surface of Ti-doped CsV3Sb5

Kyryl Shtefiienko, Cole Phillips, Matthew J. Stitz, Ganesh Pokharel, Stephen D. Wilson, David E. Graf and Keshav Shrestha

Phys. Rev. B, 2025, 111
DOI: 10.1103/5brw-yxvt

Pressures-stabilized unconventional stoichiometric electride Mg3S2

Hanyue Tang, Jiayue Liu, Yuxuan Sha, Yuelong Ding, Wenwen Cui, Jian Hao, Jingming Shi and Yinwei Li

Phys. Rev. B, 2025, 111
DOI: 10.1103/PhysRevB.111.184104

A review: Comprehensive investigation on bandgap engineering under high pressure utilizing microscopic UV–Vis absorption spectroscopy

Lin Chen, Zhijian Gao, Qian Li, Chuanxin Yan, Haiwa Zhang, Yinwei Li and Cailong Liu

APL Materials, 2024, 12
DOI: 10.1063/5.0196152

Crystalline aluminum silicides with electride state and superconductivity under high pressure

Qianyi Wang, Kaixuan Zhao, Shubo Wei, Hanyu Liu and Shoutao Zhang

Materials Today Physics, 2022, 28, 100853
DOI: 10.1016/j.mtphys.2022.100853

Ambient-Pressure Recoverable Polynitrogen Solids Assembled by Pentazolate Rings with High Energy Density

Shuyi Lin, Meiling Xu, Yiwei Liang, Xuanhao Yuan, Yiming Zhang, Feilong Wang, Jian Hao and Yinwei Li

Inorg. Chem., 2022, 61, 15532
DOI: 10.1021/acs.inorgchem.2c02240

Pressure-Induced Engineering of Surface Oxygen Vacancies on Metal Oxides for Heterogeneous Photocatalysis

Xiaoyi Wang, Sikang Xue, Meirong Huang, Wei Lin, Yidong Hou, Zhiyang Yu, Masakazu Anpo, Jimmy C. Yu, Jinshui Zhang and Xinchen Wang

J. Am. Chem. Soc., 2025, 147, 4945
DOI: 10.1021/jacs.4c14073

Bandgap and impedance barriers overcome by shear-synthesized metastable silicon and its implications for effective optoelectronics

Mingdi Fu, Dongxue Yu, Jinwei Zhang, Wenhui Jiang, Jiaying Liu, Yanzhang Ma, Xiaoxin Wu, Jingshu Wang, Yong Zhang and Junkai Zhang

Journal of Materials Research and Technology, 2025, 38, 1441
DOI: 10.1016/j.jmrt.2025.07.287

High-Pressure Synthesis of Single-Crystalline SnS Nanoribbons

Xinyu Zhang, Yuyang Shi, Zude Shi, Hang Xia, Mingyu Ma, Yiliu Wang, Kang Huang, Ye Wu, Yongji Gong, Huilong Fei, Yongmin He and Gonglan Ye

Nano Lett., 2023, 23, 7449
DOI: 10.1021/acs.nanolett.3c01879

High- T c superconductivity in doped molecular superconductors of K 4 B 8 − x M x H 32 (M = C, N) under high pressure

Weiguo Sun, Simin Li, Xiaofeng Li, Tong Ouyang, Kainan Liu, Dexin Mu, Cheng Lu and Feng Peng

J. Phys.: Condens. Matter, 2024, 36, 425704
DOI: 10.1088/1361-648X/ad5e2d

Pressure-induced novel phases of YN4 as a possible high energy density material

Jingjing Wang, Panlong Kong, Zaifu Jiang, Dingmei Zhang, Yilian Jing and Wei Dai

Physics Letters A, 2025, 530, 130150
DOI: 10.1016/j.physleta.2024.130150

Sodium chloride induced nitrogen salt with cyclo- N5 anions at high pressure

Bi Zhang, Meiling Xu, Yu Xin, Shuyi Lin, Jian Hao, Yanchao Wang and Yinwei Li

Phys. Rev. Research, 2024, 6
DOI: 10.1103/PhysRevResearch.6.033213

Advances in high-pressure materials discovery enabled by machine learning

Zhenyu Wang, Xiaoshan Luo, Qingchang Wang, Heng Ge, Pengyue Gao, Wei Zhang, Jian Lv and Yanchao Wang

Matter and Radiation at Extremes, 2025, 10
DOI: 10.1063/5.0255385

Insights into the High-Pressure Behavior of AWO4-Type Orthotungstates

Alfonso Muñoz, Silvana Radescu, Andrés Mujica and Daniel Errandonea

J. Phys. Chem. C, 2026, 130, 3201
DOI: 10.1021/acs.jpcc.5c07394

Non van der Waals phase transition in two-dimensional transition metal dichalcogenides

Ziyang Qu, Shihai Wu, Fang Wu, Yi Wan, Ang Li, Kaiming Deng, Erjun Kan and Chengxi Huang

Phys. Rev. B, 2026, 113
DOI: 10.1103/r2gj-f9l9

Topological relations between crystal structures: a route to predicting inorganic materials

Natalia A. Kabanova, Ekaterina A. Grishina, Vladislav T. Osipov, Valeria E. Pavlova, Maria A. Solodovnikova, Artem A. Kabanov and Vladislav A. Blatov

Struct Chem, 2024, 35, 1793
DOI: 10.1007/s11224-024-02379-1

DFT-D3 study of two-dimensional polymerization of C60 crystal under high pressure

Hidenobu Murata

Jpn. J. Appl. Phys., 2023, 62, 021002
DOI: 10.35848/1347-4065/acb74d

An optical pressure sensing phosphor of high-sensitivity by soft structure

Ruijing Fu, Bin Xiao, Haoyuan Weng, Pan Wang, Guangxia Wang, Qingguang Zeng, Dawei Wen and Guanjun Xiao

Chinese Chemical Letters, 2026, 37, 111916
DOI: 10.1016/j.cclet.2025.111916

Deep machine learning, molecular dynamics and experimental studies of liquid Al-Cu-Co alloys

L.V. Kamaeva, E.N. Tsiok and N.M. Chtchelkatchev

Journal of Molecular Liquids, 2024, 393, 123659
DOI: 10.1016/j.molliq.2023.123659

AC Electric Conductivity of High Pressure and High Temperature Formed NaFePO4 Glassy Nanocomposite

Aleksander Szpakiewicz-Szatan, Szymon Starzonek, Jerzy E. Garbarczyk, Tomasz K. Pietrzak, Michał Boćkowski and Sylwester J. Rzoska

Nanomaterials, 2024, 14, 1492
DOI: 10.3390/nano14181492

de Haas–van Alphen effect in the Ti-doped CsV3Sb5 kagome compound under magnetic fields up to 41 Tesla

Kyryl Shtefiienko, Tucker Beekmann, Matthew J. Stitz, Ganesh Pokharel, Stephen D. Wilson, Christopher A. Mizzi, David E. Graf and Keshav Shrestha

Phys. Rev. B, 2026, 113
DOI: 10.1103/871s-2rsl

Existence of solid Na–Xe compounds at the extreme conditions of Earth's interior

Min Zou, Kang Yang, Pan Zhang, Wenwen Cui, Jian Hao, Jingming Shi and Yinwei Li

Phys. Rev. Research, 2023, 5
DOI: 10.1103/PhysRevResearch.5.043107

Synthesis of Electrocatalytic Tungsten Carbide Nanoparticles by High-Pressure and High-Temperature Treatment of Organotungsten Compounds

Taijiro Tadokoro, Sota Sato, Ichiro Yamane, Hiroki Waizumi, Seiya Yokokura and Toshihiro Shimada

Nanomaterials, 2025, 15, 170
DOI: 10.3390/nano15030170

Pressure‐Induced Phase Transitions and Electronic Properties of FeCl2: Insights from First‐Principles Calculations

Paras Patel and Prafulla K. Jha

Physica Rapid Research Ltrs, 2026, 20
DOI: 10.1002/pssr.202500380

Pressure-driven relaxation processes in nanocomposite ionic glass LiFe0.75V0.10PO4

Szymon Starzonek, Aleksander Szpakiewicz-Szatan, Sylwester J. Rzoska, Aleksandra Drozd-Rzoska, Michał Boćkowski, Tomasz K. Pietrzak and Jerzy E. Garbarczyk

Journal of Non-Crystalline Solids, 2023, 605, 122163
DOI: 10.1016/j.jnoncrysol.2023.122163

Optimal ratio or historical convention: the use of methanol–ethanol mixtures as pressure-transmitting mediums

Cameron J. G. Wilson, Cecilia M. S. Alvares, Anna Herlihy, Nicholas P. Funnell, Gabriele C. Sosso and Mark S. Senn

J Appl Crystallogr, 2025, 58, 1967
DOI: 10.1107/S1600576725008349

Emergence of superconductivity in single-crystalline LaFeAsO under simultaneous Sm and P substitution

Nikolai D. Zhigadlo, Roman Puzniak, Philip J.W. Moll, Fabio Bernardini and Toni Shiroka

Journal of Alloys and Compounds, 2023, 958, 170384
DOI: 10.1016/j.jallcom.2023.170384

Stability, Chemical Bonding, and Electron Lone Pair Localization in AsN at High Pressure by Density Functional Theory Calculations

Akkarach Sukserm, Matteo Ceppatelli, Manuel Serrano-Ruiz, Demetrio Scelta, Kamil Dziubek, Marta Morana, Roberto Bini, Maurizio Peruzzini, Thiti Bovornratanaraks, Udomsilp Pinsook and Sandro Scandolo

Inorg. Chem., 2024, 63, 8142
DOI: 10.1021/acs.inorgchem.4c00342

Pressure stabilized polymeric nitrogen in N2F and N10F compounds

Shuyi Lin, Meiling Xu, Jian Hao and Yinwei Li

Results in Physics, 2022, 43, 106093
DOI: 10.1016/j.rinp.2022.106093

Potential existence of Xe3CO2 compounds with distinct Xe-C covalent bonds under pressures of Earth's core

Kang Yang, Ke Yang, Tong Yang, Jingyu He, Ming Yang and Tong Zhou

Phys. Rev. B, 2024, 110
DOI: 10.1103/PhysRevB.110.054108

Mechanism of pressure-induced decomposition in ionic compounds

Yong Liu, Jianfu Li, Jianan Yuan, Jiani Lin and Xiaoli Wang

Phys. Scr., 2025, 100, 102002
DOI: 10.1088/1402-4896/ae0ec5

Pressure-induced structural phase transition of vanadium: a revisit from the perspective of ensemble theory

Bo-Yuan Ning and Xi-Jing Ning

J. Phys.: Condens. Matter, 2022, 34, 425404
DOI: 10.1088/1361-648X/ac8907

Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study

Tom J. P. Irons, Bang C. Huynh, Andrew M. Teale, Frank De Proft and Paul Geerlings

Molecular Physics, 2022
DOI: 10.1080/00268976.2022.2145245

Superconducting properties of the Ti-doped KV3Sb5 kagome compound

Kyryl Shtefiienko, Shengzhi Zhang, Ulises Alonso de la Sierra, Ganesh Pokharel and Keshav Shrestha

Phys. Rev. B, 2025, 112
DOI: 10.1103/cv3g-vm3b

Pressure effect on the crystal structure and magnetoelectric properties of multiferroic GeCu2O4

Qingkai Wang, Hao Ding, Kun Zhai, Zhipeng Yu, Junxin Yan, Bochong Wang, Congpu Mu, Fusheng Wen, Jianyong Xiang, Tianyu Xue, Yingchun Cheng, Anmin Nie and Zhongyuan Liu

Journal of Alloys and Compounds, 2025, 1041, 183731
DOI: 10.1016/j.jallcom.2025.183731

Pressure Evolution of Glass Transition Temperature in LiFePO4

Aleksandra Drozd-Rzoska, Szymon Starzonek, Sylwester J. Rzoska, Michał Boćkowski and Jerzy E. Garbarczyk

J. Phys. Chem. Lett., 2022, 13, 7269
DOI: 10.1021/acs.jpclett.2c01626

Stability of XeK4 compound under extreme conditions

Caiwen Lu, Kang Yang, Wenwen Cui, Jian Hao, Jingming Shi and Yinwei Li

Phys. Rev. B, 2024, 110
DOI: 10.1103/PhysRevB.110.024111

Unveiling unconventional CH4–Xe compounds and their thermodynamic properties at extreme conditions

Pan Zhang, Yuelong Ding, Wenwen Cui, Jian Hao, Jingming Shi and Yinwei Li

The Journal of Chemical Physics, 2024, 161
DOI: 10.1063/5.0218769

Property modulations of two-dimensional materials under compression

Zhen Wu, Yuxi Wang, Yunjie Dou, Lin Zhou and Jia Zhu

Nano Research Energy, 2023, 2, e9120080
DOI: 10.26599/NRE.2023.9120080

Superconductor Discovery in the Emerging Paradigm of Materials Informatics

Huan Tran, Hieu-Chi Dam, Christopher Kuenneth, Vu Ngoc Tuoc and Hiori Kino

Chem. Mater., 2024, 36, 10939
DOI: 10.1021/acs.chemmater.4c01757

Superconductivity in dense scandium-based phosphides

Kaixuan Zhao, Qianyi Wang, Honggang Li, Bo Gao, Shubo Wei, Li Zhu, Haiyang Xu, Hanyu Liu and Shoutao Zhang

Phys. Rev. B, 2023, 108
DOI: 10.1103/PhysRevB.108.174513

Lattice Compressibility versus Emission Properties: A Trade‐Off in Zero‐Dimensional Hybrid Bimetallic Halides

Jiawei Lin, Xingyu Chen, Songhao Guo, Ruonan Yao, Congcong Chen, Pan Wang, Zhongnan Guo, Xujie Lü and Lingling Mao

Angew Chem Int Ed, 2026, 65
DOI: 10.1002/anie.202521224

Lattice Compressibility versus Emission Properties: A Trade‐Off in Zero‐Dimensional Hybrid Bimetallic Halides

Jiawei Lin, Xingyu Chen, Songhao Guo, Ruonan Yao, Congcong Chen, Pan Wang, Zhongnan Guo, Xujie Lü and Lingling Mao

Angewandte Chemie, 2026, 138
DOI: 10.1002/ange.202521224

Chemical reaction mechanisms of solid state ammonia and hydrogen under high pressure

Junyi Miao, Shi He, Kaihua He, Kewei Ding, Wei Dai and Cheng Lu

Phys. Rev. Materials, 2024, 8
DOI: 10.1103/PhysRevMaterials.8.083604

Stability and superionicity of NH4S and NH4S2 at extreme conditions

Kang Yang, Jingming Shi, Wenwen Cui, Jian Hao and Yinwei Li

Phys. Rev. B, 2024, 110
DOI: 10.1103/PhysRevB.110.054111

Metal Corrosion in High Temperature Conditions: A Review

Agha Ndukwe, Miracle Deekae, Wisdom Ejike, Kooffreh Okon, Chibuike Ozoh, Uchechukwu Chiemela, Udochukwu Ikele, Ihechi Chibuzor, Desmond Ezeasia, Ifunanya Ikwuka and George Achonwa

Zas Mat, 2025, 66, 292
DOI: 10.62638/ZasMat1203

High-Pressure Insights into the Material Properties of Cerium Carbide

Souad Dilmi, Djalel Mebarki, Salima Saib and Nadir Bouarissa

J. Electron. Mater., 2025, 54, 9016
DOI: 10.1007/s11664-025-12213-x

Polymeric Hydronitrogen N4H: A Promising High-Energy-Density Material and High-Temperature Superconductor

Wei Dai, Shi He, Kewei Ding and Cheng Lu

ACS Appl. Mater. Interfaces, 2022, 14, 49986
DOI: 10.1021/acsami.2c16293

Superconductivity in Diamond-Like BC15

Shicong Ding, Li Zhu, Xiaohua Zhang, Yong Liu, Xiang-Feng Zhou and Guochun Yang

Inorg. Chem., 2024, 63, 18781
DOI: 10.1021/acs.inorgchem.4c02791

Study of the structure of Al90Gd10 alloy after thermobaric effect

S. G. Menshikova

CPM, 2025, 27, 87
DOI: 10.62669/17270227.2025.1.9

Machine learning augmented design of 2D magnet with planar cyclo-tetranitrogen: ambient thermal stability from quantum to mesoscale

Dong Fan, Ke Zheng, Hongfang Li, Junjie He and Pengbo Lyu

npj Comput Mater, 2025, 11
DOI: 10.1038/s41524-025-01763-7